2-isoquinolin-4-ylethanesulfonyl chloride

C11H10ClNO2S — CID 84805050

IUPAC2-isoquinolin-4-ylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1cncc2ccccc12
InChIInChI=1S/C11H10ClNO2S/c12-16(14,15)6-5-10-8-13-7-9-3-1-2-4-11(9)10/h1-4,7-8H,5-6H2
InChIKeyRGNKTGUSGLGQBT-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.35
Rot. Bonds3

About 2-isoquinolin-4-ylethanesulfonyl chloride

2-isoquinolin-4-ylethanesulfonyl chloride (PubChem CID 84805050) has the molecular formula C11H10ClNO2S and a molecular weight of 255.73 g/mol. Its IUPAC name is 2-isoquinolin-4-ylethanesulfonyl chloride.

Molecular Properties

Compound Name2-isoquinolin-4-ylethanesulfonyl chloride
PubChem CID84805050
Molecular FormulaC11H10ClNO2S
Molecular Weight255.73 g/mol
Exact Mass255.01
IUPAC Name2-isoquinolin-4-ylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1cncc2ccccc12
InChIInChI=1S/C11H10ClNO2S/c12-16(14,15)6-5-10-8-13-7-9-3-1-2-4-11(9)10/h1-4,7-8H,5-6H2
InChIKeyRGNKTGUSGLGQBT-UHFFFAOYSA-N
XLogP2.35
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)isoquinoline;hydrochloride
CID 12746379
2-(1-methylindol-3-yl)ethanesulfonyl chloride
CID 82483252
isoquinolin-4-ylmethanethiol
CID 104505444
benzenesulfonyl chloride;4-fluoroisoquinoline
CID 159688216
4-(3-chloro-3-cyclopropylpropyl)isoquinoline
CID 64507989
1-isoquinolin-4-yl-4,4-dimethylpentan-3-amine
CID 64506068
3-isoquinolin-4-yl-1-phenylpropan-1-ol
CID 64513744
4-(3-bromohexyl)isoquinoline
CID 64509411
2-(1-methylindazol-7-yl)ethanesulfonyl chloride
CID 84709598
N-(3-isoquinolin-4-ylpropyl)cyclopropanamine
CID 64506104
ethane;2-isoquinolin-4-ylacetonitrile
CID 171567075
(2S)-2-amino-3-isoquinolin-4-ylpropanoic acid
CID 103693021

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-4-ylethanesulfonyl chloride?
The IUPAC name of 2-isoquinolin-4-ylethanesulfonyl chloride (CID 84805050) is 2-isoquinolin-4-ylethanesulfonyl chloride.
What is the SMILES notation for 2-isoquinolin-4-ylethanesulfonyl chloride?
The canonical SMILES for 2-isoquinolin-4-ylethanesulfonyl chloride is O=S(=O)(Cl)CCc1cncc2ccccc12.
What is the InChIKey of 2-isoquinolin-4-ylethanesulfonyl chloride?
The InChIKey is RGNKTGUSGLGQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S/c12-16(14,15)6-5-10-8-13-7-9-3-1-2-4-11(9)10/h1-4,7-8H,5-6H2.
What are the key properties of 2-isoquinolin-4-ylethanesulfonyl chloride?
2-isoquinolin-4-ylethanesulfonyl chloride has a molecular weight of 255.73 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-4-ylethanesulfonyl chloride is sourced from PubChem (CID 84805050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).